CID 43138076

4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCl)C(=O)N
InChI
InChI=1S/C11H9ClN2OS/c12-5-9-6-16-11(14-9)8-3-1-7(2-4-8)10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKey
LUEUJGNAZUAVDV-UHFFFAOYSA-N
Compound name
4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01968 153.2
[M+Na]+ 275.00162 166.1
[M+NH4]+ 270.04622 162.1
[M+K]+ 290.97556 158.9
[M-H]- 251.00512 157.0
[M+Na-2H]- 272.98707 160.4
[M]+ 252.01185 156.8
[M]- 252.01295 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.